MAGNDATA - Collection of Magnetic Structures

Symmetry operations of the magnetic space group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 0 1/2 1/2 }
3	y,x,z+1/2,+1	{ m_1-10 \| 0 0 1/2 }
4	-y+1/2,-x,z,+1	{ m₁₁₀ \| 1/2 0 0 }
(1/2,1/2,0) + set click here to show and hide
5	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
6	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
7	y+1/2,x+1/2,z+1/2,+1	{ m_1-10 \| 1/2 1/2 1/2 }
8	-y,-x+1/2,z,+1	{ m₁₁₀ \| 0 1/2 0 }
(1/2,0,0)' + set click here to show and hide
9	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
10	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
11	y+1/2,x,z+1/2,-1	{ m'_1-10 \| 1/2 0 1/2 }
12	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
(0,1/2,0)' + set click here to show and hide
13	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
14	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
15	y,x+1/2,z+1/2,-1	{ m'_1-10 \| 0 1/2 1/2 }
16	-y+1/2,-x+1/2,z,-1	{ m'₁₁₀ \| 1/2 1/2 0 }

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Symmetry operations of the magnetic point group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	y,x,z,+1	m_1-10
4	-y,-x,z,+1	m₁₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-y,z,-1	2'₀₀₁
7	y,x,z,-1	m'_1-10
8	-y,-x,z,-1	m'₁₁₀

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	8	m_x,-m_x,m_z	0.0	0.0	2.59(3)	2.59

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ca1	Ca	0.16667	0.33333	0.26650	8
O1	O	0.00000	0.00000	0.33470	8
S1	S	0.16667	0.33333	0.59000	8

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Magnetic atoms:

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,-m_x,m_z	0.00000	0.00000	2.59000
2	0.00000	0.50000	0.50000	-m_x,m_x,m_z	0.00000	0.00000	2.59000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.00000	m_x,-m_x,m_z	0.00000	0.00000	2.59000
4	0.50000	0.00000	0.50000	-m_x,m_x,m_z	0.00000	0.00000	2.59000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.00000	-m_x,m_x,-m_z	0.00000	0.00000	-2.59000
6	0.50000	0.50000	0.50000	m_x,-m_x,-m_z	0.00000	0.00000	-2.59000
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.50000	0.00000	-m_x,m_x,-m_z	0.00000	0.00000	-2.59000
8	0.00000	0.00000	0.50000	m_x,-m_x,-m_z	0.00000	0.00000	-2.59000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ca1:

Atom	x	y	z
1	0.16667	0.33333	0.26650
2	0.83333	0.16667	0.76650
(1/2,1/2,0) + set click here to show and hide
3	0.66667	0.83333	0.26650
4	0.33333	0.66667	0.76650
(1/2,0,0)' + set click here to show and hide
5	0.66667	0.33333	0.26650
6	0.33333	0.16667	0.76650
(0,1/2,0)' + set click here to show and hide
7	0.16667	0.83333	0.26650
8	0.83333	0.66667	0.76650

Set of atoms in the unit cell related by symmetry with the atom O1:

Atom	x	y	z
1	0.00000	0.00000	0.33470
2	0.00000	0.50000	0.83470
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.33470
4	0.50000	0.00000	0.83470
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.33470
6	0.50000	0.50000	0.83470
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.50000	0.33470
8	0.00000	0.00000	0.83470

Set of atoms in the unit cell related by symmetry with the atom S1:

Atom	x	y	z
1	0.16667	0.33333	0.59000
2	0.83333	0.16667	0.09000
(1/2,1/2,0) + set click here to show and hide
3	0.66667	0.83333	0.59000
4	0.33333	0.66667	0.09000
(1/2,0,0)' + set click here to show and hide
5	0.66667	0.33333	0.59000
6	0.33333	0.16667	0.09000
(0,1/2,0)' + set click here to show and hide
7	0.16667	0.83333	0.59000
8	0.83333	0.66667	0.09000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	8	m_x,-m_x,m_z	0.0	0.0	2.59(3)	2.59

label	dim. small irrep	dim. full irrep	action	number of modes
mM3	1	3	primary	2

MAGNDATA: A Collection of magnetic structures with portable cif-type files